<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:23:40 UTC</creation_date>
  <update_date>2026-04-17 16:13:01 UTC</update_date>
  <accession/>
  <common_name>POTASSIUM SORBATE</common_name>
  <class>SmallMolecule</class>
  <description>POTASSIUM SORBATE (C6H7KO2) is a compound with an average molecular weight of 150.22 g/mol. POTASSIUM SORBATE belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds.

This substance serves several industrial roles, acting as a preservative, stabilizing agent, fragrance, pH regulating agent, and dye. It is utilized as a flavouring and nutrient, a biocide, and an antioxidant in both industrial and biological contexts (PMC12158065). Additionally, it functions as an antimicrobial agent for biological and industrial applications (PMC4408049, PMC11640405).

POTASSIUM SORBATE is found in or released from 14 recorded sources. Within food, food processing and cookware, it is associated with the treatment of hops, processing fish, the preparation of wort, and the preparation of vinegar. In the category of household cleaning and consumer products, it is found in soap dispensers, tobacco pipes, ash trays, other smoking requisites, pipe accessories, and one additional source. Other recorded sources include drinking water and water supply, pesticides in agriculture and land management, and sunshades awnings or outside screens and fencing in building and construction. Recorded exposure routes for this compound include oral and inhalation.</description>
  <categories/>
  <types>
    <type>Pesticide</type>
  </types>
  <synonyms>
    <synonym>2,4-Hexadienoic acid, potassium salt</synonym>
    <synonym>2,4-Hexadienoic acid, potassium salt, (E,E)-</synonym>
    <synonym>potassium (2E,4E)-hexa-2,4-dienoate</synonym>
    <synonym>Potassium (2E,4E)-hexa-2,4-dienoate</synonym>
  </synonyms>
  <chemical_formula>C6H7KO2</chemical_formula>
  <average_molecular_weight>150.2169</average_molecular_weight>
  <monisotopic_moleculate_weight>150.008311329</monisotopic_moleculate_weight>
  <iupac_name>potassium (2E,4E)-hexa-2,4-dienoate</iupac_name>
  <traditional_iupac>potassium (2E,4E)-hexa-2,4-dienoate</traditional_iupac>
  <cas_registry_number>24634-61-5</cas_registry_number>
  <smiles>[K+].C\C=C\C=C\C([O-])=O</smiles>
  <inchi>InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;</inchi>
  <inchikey>CHHHXKFHOYLYRE-STWYSWDKSA-M</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acids and conjugates</sub_class>
    <direct_parent>Medium-chain fatty acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid salts</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic potassium salts</alternative_parent>
      <alternative_parent>Unsaturated fatty acids</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Medium-chain fatty acid</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic alkali metal salt</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic potassium salt</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Unsaturated fatty acid</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>potassium salt</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.55</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.10</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.19e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.45</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>5.01</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>potassium (2E,4E)-hexa-2,4-dienoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>150.2169</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>150.008311329</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[K+].C\C=C\C=C\C([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H7KO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CHHHXKFHOYLYRE-STWYSWDKSA-M</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>40.13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>44.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>11.51</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227be10e0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>23676745</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>4445644</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
